CAS
50-45-3 Purity
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50-45-3 Purity
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Specification
The molecular formula is C10H12O2.
The molecular weight is 164.20 g/mol.
The IUPAC name is (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial.
The InChIKey is AYODHZHFDRRQEZ-XLKYRCCQSA-N.
The canonical SMILES is CC(=CC=CC=C(C)C=O)C=O.
It has 0 hydrogen bond donor counts.
It has 2 hydrogen bond acceptor counts.
It has 4 rotatable bond counts.
The topological polar surface area is 34.12.
It has 3 defined bond stereocenter counts.